N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C9H17N3O3 — CID 79028212

IUPACN-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CCC[C@H]1CO
InChIInChI=1S/C9H17N3O3/c1-6(8(14)11-9(10)15)12-4-2-3-7(12)5-13/h6-7,13H,2-5H2,1H3,(H3,10,11,14,15)/t6?,7-/m0/s1
InChIKeyPSFHQPZRCKIOSL-MLWJPKLSSA-N
MW215.25 g/mol
LogP-0.97
Rot. Bonds3

About N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 79028212) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID79028212
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CCC[C@H]1CO
InChIInChI=1S/C9H17N3O3/c1-6(8(14)11-9(10)15)12-4-2-3-7(12)5-13/h6-7,13H,2-5H2,1H3,(H3,10,11,14,15)/t6?,7-/m0/s1
InChIKeyPSFHQPZRCKIOSL-MLWJPKLSSA-N
XLogP-0.97
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 66261743
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62014138
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
CID 63584047
(3R)-4-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-2-one
CID 54525823
4-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 63583684

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 79028212) is N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is CC(C(=O)NC(N)=O)N1CCC[C@H]1CO.
What is the InChIKey of N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is PSFHQPZRCKIOSL-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(8(14)11-9(10)15)12-4-2-3-7(12)5-13/h6-7,13H,2-5H2,1H3,(H3,10,11,14,15)/t6?,7-/m0/s1.
What are the key properties of N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 215.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 79028212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).